@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3568
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.2226     5.4647    -2.2371	Br	1	noname	-0.0495
2	C1     2.5016     5.0467    -0.5642	C.2	1	noname	0.0008
3	C2     3.1155     5.3868     0.6687	C.2	1	noname	-0.0204
4	C3     1.2746     4.3528    -0.5591	C.2	1	noname	-0.0231
5	Br2     4.7404     6.2998     0.8067	Br	1	noname	-0.0496
6	C4     2.4855     5.0259     1.8777	C.2	1	noname	-0.0286
7	C5     0.6576     3.9899     0.6517	C.2	1	noname	-0.0200
8	C6     1.2645     4.3340     1.8707	C.2	1	noname	-0.0461
9	N1    -0.5213     3.3310     0.6378	N.3	1	noname	0.0050
10	C7    -0.6404     1.9761     0.6629	C.2	1	noname	0.0373
11	N2     0.4674     1.1912     0.7159	N.2	1	noname	-0.2424
12	C8    -1.9134     1.3671     0.6299	C.2	1	noname	-0.0127
13	C9     0.4044    -0.1586     0.7370	C.2	1	noname	0.0406
14	C10    -1.9514    -0.0486     0.6510	C.2	1	noname	0.0462
15	C11    -3.1253     2.0881     0.5800	C.2	1	noname	0.0264
16	N3    -0.8035    -0.7635     0.7030	N.2	1	noname	-0.2520
17	C12    -3.1854    -0.7215     0.6100	C.2	1	noname	0.0378
18	C13    -4.3583     1.4142     0.5531	C.2	1	noname	0.0453
19	C14    -4.3884     0.0014     0.5451	C.2	1	noname	0.0600
20	O1    -5.4913     2.1672     0.5251	O.3	1	noname	-0.2654
21	O2    -5.5504    -0.7044     0.4841	O.3	1	noname	-0.2629
22	C15    -6.4113     2.0813     1.6161	C.3	1	noname	0.0424
23	C16    -6.3964    -0.5594    -0.6596	C.3	1	noname	0.0424
24	H1     0.8206     4.1009    -1.4390	H	1	noname	0.0651
25	H2     2.9104     5.2629     2.7757	H	1	noname	0.0635
26	H3     0.8215     4.0791     2.7537	H	1	noname	0.0639
27	H4    -1.3323     3.8610     0.5949	H	1	noname	0.1357
28	H5     1.2593    -0.7146     0.7770	H	1	noname	0.1062
29	H6    -3.1204     3.1081     0.5720	H	1	noname	0.0659
30	H7    -3.2084    -1.7414     0.6171	H	1	noname	0.0674
31	H8    -7.2313     2.7763     1.4382	H	1	noname	0.0535
32	H9    -6.8204     1.0734     1.7032	H	1	noname	0.0535
33	H10    -5.9144     2.3523     2.5491	H	1	noname	0.0535
34	H11    -7.2464    -1.2342    -0.5546	H	1	noname	0.0535
35	H12    -6.7704     0.4615    -0.7416	H	1	noname	0.0535
36	H13    -5.8505    -0.8193    -1.5675	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	24	1
8	6	8	2
9	6	25	1
10	7	9	1
11	7	8	1
12	8	26	1
13	9	10	1
14	9	27	1
15	10	11	2
16	10	12	1
17	11	13	1
18	12	14	1
19	12	15	2
20	13	16	2
21	13	28	1
22	14	17	2
23	14	16	1
24	15	18	1
25	15	29	1
26	17	19	1
27	17	30	1
28	18	20	1
29	18	19	2
30	19	21	1
31	20	22	1
32	21	23	1
33	22	31	1
34	22	32	1
35	22	33	1
36	23	34	1
37	23	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1